Journal Article

FZJ-2017-05053

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Heat capacities of xenotime-type ceramics: An accurate ab initio prediction

Ji, Y.FZJ* ; Beridze, G.FZJ* ; Bosbach, D.FZJ* ; Kowalski, P. M. (Corresponding author)FZJ*

2017
Elsevier Science Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.jnucmat.2017.07.026

Abstract: Because of ability to incorporate actinides into their structure, the lanthanide phosphate ceramics (LnPO4LnPO4) are considered as potential matrices for the disposal of nuclear waste. Here we present highly reliable ab initio prediction of the variation of heat capacities and the standard entropies of these compounds in zircon structure along lanthanide series (Ln = Dy, …,Lu) and validate them against the existing experimental data. These data are helpful for assessment of thermodynamic parameters of these materials in the context of using them as matrices for immobilization of radionuclides for the purpose of nuclear waste management.

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Contributing Institute(s):

1. Nukleare Entsorgung und Reaktorsicherheit (IEK-6)
2. JARA - HPC (JARA-HPC)

Research Program(s):

1. 161 - Nuclear Waste Management (POF3-161) (POF3-161)
2. Investigation of the new materials for safe management of high level nuclear waste. (jiek61_20131101) (jiek61_20131101)
3. Investigation of the new materials for safe management of high level nuclear waste. (jara0038_20121101) (jara0038_20121101)
4. Towards controlled QCD transport coefficients (jara0039_20121101) (jara0039_20121101)
5. HITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406) (HITEC-20170406)

Appears in the scientific report 2017

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Database coverage:
Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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